Related papers: One-dimensional Si chains embedded in Pt(111)and p…
The descloizite-type compound, SrMn(VO4)(OH), was synthesized as large single crystals using a high-temperature high-pressure hydrothermal technique. X-ray single crystal structure analysis reveals that the material crystallizes in the…
Scanning tunnelling microscopy and low energy electron diffraction show a dimerization-like reconstruction in the one-dimensional atomic chains on Bi(114) at low temperatures. While one-dimensional systems are generally unstable against…
A mechanism to modify the energy band structure is proposed by considering a chain of periodic scatterers forming a linear lattice around which an external cylindrical trapping potential is applied along the chain axis. When this trapping…
The newly observed ($\sqrt3$$\times$$\sqrt3$) surface reconstruction in heteroepitaxial Si(111) thin films on metal substrates is widely considered as a promising platform to realize 2D Dirac and topological states, yet its formation…
We report results from multicanonical simulations of polyglutamic acid chains of length of ten residues. For this simple polypeptide we observe a decoupling of backbone and side-chain ordering in the folding process. While the details of…
The relaxed geometries and electronic properties of the hydrogenated phases of the Si(111)-7$\times$7 surface are studied using first-principles molecular dynamics. A monohydride phase, with one H per dangling bond adsorbed on the bare…
Phosphorene, a 2D allotrope of phosphorus, is technologically very appealing because of its semiconducting properties and narrow band gap. Further reduction of the phosphorene dimensionality may spawn exotic properties of its electronic…
The interplay between crystal symmetry and charge stripe order in Pr1.67Sr0.33NiO4 and Nd1.67Sr0.33NiO4 has been studied by means of single crystal x-ray diffraction. In contrast to tetragonal La1.67Sr0.33NiO4, these crystals are…
Magnetic frustration and low dimensionality can prevent long range magnetic order and lead to exotic correlated ground states. SrDy$_2$O$_4$ consists of magnetic Dy$^{3+}$ ions forming magnetically frustrated zig-zag chains along the c-axis…
Self-diffusion of a polymer chain in a melt is studied by Monte Carlo simulations of the bond fluctuation model, where only the excluded volume interaction is taken into account. Polymer chains, each of which consists of $N$ segments, are…
Using the plane wave pseudopotential method within the density functional theory with the generalized gradient approximation for exchange and correlation potential, we have calculated adsorption energies (Ead), diffusion barriers and the…
We demonstrate that scattering of particles strongly interacting in three dimensions (3D) can be suppressed at low energies in a quasi-one-dimensional (1D) confinement. The underlying mechanism is the interference of the s- and p-wave…
Ammonia oxidation on platinum catalysts is pivotal for industrial nitric acid production and environmental abatement, yet the role of surface oxides in this process remains debated. Using operando surface X-ray diffraction (SXRD), crystal…
During the first charge-discharge cycle, silicon-based batteries show an important capacity loss because of the formation of the solid electrolyte interphase (SEI) and morphological changes due to expansion-contraction sequence upon…
It has been shown recently that inhomogenous spin chains can exhibit exotic phenomena such as the breaking of the area law of the entanglement entropy. An example is given by the rainbow model where the exchange coupling constants decrease…
Single atom catalysts (SACs) based on 2D materials are identified to be efficient in many catalytic reaction. In this work, the catalytic performance of Pd/Pt embedded planar carbon nitride (CN) for CO oxidation, has been investigated via…
We report extensive simulations of the relaxation dynamics of a self-avoiding polymer confined inside a cylindrical pore. In particular, we concentrate on examining how confinement influences the scaling behavior of the global relaxation…
Bose-Einstein condensates of sodium atoms have been confined in an optical dipole trap using a single focused infrared laser beam. This eliminates the restrictions of magnetic traps for further studies of atom lasers and Bose-Einstein…
Self-avoiding polymers in strictly two-dimensional ($d=2$) melts are investigated by means of molecular dynamics simulation of a standard bead-spring model with chain lengths ranging up to N=2048. % The chains adopt compact configurations…
The relative orientation of successive sheets, i.e. the stacking sequence, in layered two-dimensional materials is central to the electronic, thermal, and mechanical properties of the material. Often different stacking sequences have…